#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/24/2002499.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2002499
_chemical_name_systematic          'Dilead manganate(IV)'
_chemical_formula_structural       'Pb2 (Mn O4)'
_chemical_formula_sum              'Mn O4 Pb2'
_publ_section_title
;
Ein neuer Strukturtyp zur Formel A2 M O4: Pb2 Mn O4, eine
Tunnelstruktur mit einseitig koordinierten Pb2+-Ionen
;
loop_
_publ_author_name
  'Teichert, A'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    598
_journal_year                      1991
_journal_page_first                319
_journal_page_last                 325
_cell_length_a                     12.773(5)
_cell_length_b                     12.773(5)
_cell_length_c                     5.142(4)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       838.9
_cell_formula_units_Z              8
_symmetry_space_group_name_H-M     'P -4 21 c'
_symmetry_Int_Tables_number        114
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2+x,1/2-y,1/2-z'
  '-y,x,-z'
  '1/2-y,1/2-x,1/2+z'
  'y,-x,-z'
  '1/2+y,1/2+x,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Pb2+   2.000
  Mn4+   4.000
  O2-   -2.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Pb1   Pb2+   8 e 0.0776(2) 0.1221(2) 0.2437(6) 1.  0 d
  Pb2   Pb2+   8 e 0.0070(2) 0.3308(2) 0.7961(4) 1.  0 d
  Mn1   Mn4+   8 e 0.3041(7) 0.2719(7) 0.2633(26) 1.  0 d
  O1    O2-    8 e 0.314(5) 0.418(5) 0.120(12) 1.  0 d
  O2    O2-    8 e 0.287(4) 0.138(4) 0.445(10) 1.  0 d
  O3    O2-    8 e 0.335(5) 0.751(5) 0.445(11) 1.  0 d
  O4    O2-    8 e 0.272(4) 0.555(4) 0.572(9) 1.  0 d
_refine_ls_R_factor_all            0.075
_cod_database_code 2002499